Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | PRCP | P42785 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2432523 | 1.00 | ALDH1A1 (0.51) | ALDH1A1TSHRGLASIGMAR1OPRM1 | |
| SCHEMBL4862025 | 0.77 | ALDH1A1 (0.53) | ALDH1A1TSHRGLASIGMAR1OPRM1 | |
| SCHEMBL518233 | 0.77 | ALDH1A1 (0.53) | ALDH1A1TSHRGLASIGMAR1OPRM1 | |
| SCHEMBL4558508 | 0.76 | SLC6A2 (0.53) | ALDH1A1TSHRGLASIGMAR1OPRM1 | |
| SCHEMBL5538599 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TSHRGLASIGMAR1OPRM1 | |
| SCHEMBL6472114 | 0.74 | ALDH1A1 (0.49) | ALDH1A1TSHRGLASIGMAR1OPRM1 | |
| Hydrochloric Acid SCHEMBL6926710 | 0.74 | ALDH1A1 (0.49) | ALDH1A1TSHRGLASIGMAR1OPRM1 | |
| Hydrochloric Acid SCHEMBL2236360 | 0.72 | ALDH1A1 (0.58) | ALDH1A1TSHRGLASLC6A2SLC6A4 | |
| SCHEMBL2595399 | 0.72 | TSHR (0.62) | ALDH1A1TSHRGLASLC6A2SLC6A4 | |
| SCHEMBL4560517 | 0.71 | SLC6A2 (0.54) | ALDH1A1TSHRGLASIGMAR1OPRM1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8389720-B2 | Quinolone neuropeptide S receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-03-05 | — | — | US | disclosed |
| US-20110212946-A1 | Quinolone Neuropeptide S Receptor Antagonists | MERCK SHARP & DOHME LLC | 2011-09-01 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110212946-A1 | Quinolone Neuropeptide S Receptor Antagonists | NPSR1, NPY1R, NPY2R | ALDH1A1 4731/4885TSHR 267/4885GLA 4174/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.